methyl 2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)ethanoate

Systemtic Name: methyl 2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)ethanoate Openeye Name: methyl 2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)acetate CAS Name: 2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)acetic acid methyl ester IUPAC Name: methyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetate Traditional Name: 2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)acetic acid methyl ester Formula: C9H10O4 MolecularWeight: 182.1733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(C=CC(=O)C=C1)O

Isomeric SMILES

COC(=O)CC1(C=CC(=O)C=C1)O

InChI

InChI=1S/C9H10O4/c1-13-8(11)6-9(12)4-2-7(10)3-5-9/h2-5,12H,6H2,1H3